N-[(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-fluorobenzyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H17FN2O3S2 MolecularWeight: 380.456883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)NC1=O

InChI

InChI=1S/C17H17FN2O3S2/c1-11-10-24-16-7-6-14(8-15(16)20-17(11)21)25(22,23)19-9-12-2-4-13(18)5-3-12/h2-8,11,19H,9-10H2,1H3,(H,20,21)